2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine

C15H30F3N — CID 123474689

IUPAC2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine
SMILESCCC(CC(C)C)(CN(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C15H30F3N/c1-8-14(9-11(2)3,15(16,17)18)10-19(12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyFAGFAMDIFQSSQM-UHFFFAOYSA-N
MW281.41 g/mol
LogP5.11
Rot. Bonds7

About 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine

2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine (PubChem CID 123474689) has the molecular formula C15H30F3N and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine
PubChem CID123474689
Molecular FormulaC15H30F3N
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Name2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine
SMILESCCC(CC(C)C)(CN(C(C)C)C(C)C)C(F)(F)F
InChIInChI=1S/C15H30F3N/c1-8-14(9-11(2)3,15(16,17)18)10-19(12(4)5)13(6)7/h11-13H,8-10H2,1-7H3
InChIKeyFAGFAMDIFQSSQM-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine?
The IUPAC name of 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine (CID 123474689) is 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine is CCC(CC(C)C)(CN(C(C)C)C(C)C)C(F)(F)F.
What is the InChIKey of 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine?
The InChIKey is FAGFAMDIFQSSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N/c1-8-14(9-11(2)3,15(16,17)18)10-19(12(4)5)13(6)7/h11-13H,8-10H2,1-7H3.
What are the key properties of 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine?
2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 123474689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).